CID 71300239

3-iodo-2-methoxy-5-methyl-1,6-naphthyridine

Structural Information

Molecular Formula
C10H9IN2O
SMILES
CC1=NC=CC2=NC(=C(C=C12)I)OC
InChI
InChI=1S/C10H9IN2O/c1-6-7-5-8(11)10(14-2)13-9(7)3-4-12-6/h3-5H,1-2H3
InChIKey
HLKGEJWYNOHKTJ-UHFFFAOYSA-N
Compound name
3-iodo-2-methoxy-5-methyl-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.97595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98323 142.0
[M+Na]+ 322.96517 145.7
[M-H]- 298.96867 137.4
[M+NH4]+ 318.00977 155.6
[M+K]+ 338.93911 148.6
[M+H-H2O]+ 282.97321 131.1
[M+HCOO]- 344.97415 158.5
[M+CH3COO]- 358.98980 193.7
[M+Na-2H]- 320.95062 138.9
[M]+ 299.97540 142.0
[M]- 299.97650 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.